1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine

C13H12N4OS — CID 83218440

IUPAC1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCOc1ccccc1-n1cc(N)c(-c2nccs2)n1
InChIInChI=1S/C13H12N4OS/c1-18-11-5-3-2-4-10(11)17-8-9(14)12(16-17)13-15-6-7-19-13/h2-8H,14H2,1H3
InChIKeyFYJPYAAZXRDWNR-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine

1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 83218440) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID83218440
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCOc1ccccc1-n1cc(N)c(-c2nccs2)n1
InChIInChI=1S/C13H12N4OS/c1-18-11-5-3-2-4-10(11)17-8-9(14)12(16-17)13-15-6-7-19-13/h2-8H,14H2,1H3
InChIKeyFYJPYAAZXRDWNR-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 83218440) is 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is COc1ccccc1-n1cc(N)c(-c2nccs2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is FYJPYAAZXRDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-11-5-3-2-4-10(11)17-8-9(14)12(16-17)13-15-6-7-19-13/h2-8H,14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83218440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).